SCHEMBL26908518

SCHEMBL26908518

CC(CO)(CO)CO.COc1c(C=O)c(C)cc(C)c1C=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 4/20 0.36
▸ USP2 O75604 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ERN1 O75460 4/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ GLA P06280 2/20 0.33
▸ LCK P06239 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ LIMK2 P53671 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26908624 0.91 ERN1 (0.40) AKR1B1USP2CYP3A4ERN1MAPT
SCHEMBL26908584 0.88 AKR1B1 (0.36) AKR1B1USP2CYP3A4ERN1MAPT
SCHEMBL26908549 0.86 ERN1 (0.33) AKR1B1USP2CYP3A4ERN1ALDH1A1
SCHEMBL26908542 0.84 USP2 (0.36) AKR1B1USP2CYP3A4ERN1MAPT
SCHEMBL25342834 0.84 AKR1B1 (0.44) AKR1B1USP2CYP3A4ERN1MAPT
SCHEMBL26908535 0.81 CA1 (0.41) AKR1B1ERN1MAPTALDH1A1GLA
SCHEMBL29080285 0.80 ERN1 (0.33) AKR1B1ERN1ALDH1A1KDM4ECA1
SCHEMBL26908559 0.80 ERN1 (0.44) CYP3A4ERN1MAPTALDH1A1THRB
SCHEMBL29091962 0.80 ERN1 (0.37) CYP3A4ERN1MAPTALDH1A1THRB
SCHEMBL26908594 0.77 ERN1 (0.47) ERN1MAPTALDH1A1KDM4ECA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166867-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-05-23 — — US disclosed
EP-4286448-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-06 — — EP disclosed
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